SCHEMBL2113690

SCHEMBL2113690

O=C(c1ccc(O)c(O)c1)N(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.73
ESR2 Q92731 7/20 0.73
KDM4E B2RXH2 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
GAA P10253 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
XDH P47989 2/20 0.47
HDAC6 Q9UBN7 1/20 0.44
RECQL P46063 2/20 0.43
DBH P09172 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2112286 0.84 ESR1 (0.67) ESR1ESR2MAPTMEN1ALDH1A1
SCHEMBL2114738 0.84 ESR1 (0.77) ESR1ESR2
SCHEMBL2113569 0.84 ESR1 (1.00) ESR1ESR2KDM4EHSD17B10
SCHEMBL2112590 0.84 ESR1 (0.68) ESR1ESR2CA12CA1CA2
Gtx-758 SCHEMBL2112794 0.80 ESR1 (1.00) ESR1ESR2KDM4EHSD17B10
Gtx-758 SCHEMBL29420202 0.80 ESR1 (1.00) ESR1ESR2KDM4EHSD17B10
SCHEMBL2112708 0.79 ESR1 (1.00) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL2111934 0.79 HTT (0.61) ESR1ESR2POLBMAPTMEN1
SCHEMBL12318272 0.78 ESR1 (0.86) ESR1ESR2KDM4EPOLBMAPT
SCHEMBL2114817 0.78 ESR1 (0.68) ESR1ESR2KDM4ECA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 ESR1 7/4885ESR2 3/4885KDM4E 3063/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885KDM4E 1462/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885KDM4E 1462/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885KDM4E 1462/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.